1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde

C12H11NO2 — CID 121258466

IUPAC1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
SMILESCc1noc2ccc(C3(C=O)CC3)cc12
InChIInChI=1S/C12H11NO2/c1-8-10-6-9(12(7-14)4-5-12)2-3-11(10)15-13-8/h2-3,6-7H,4-5H2,1H3
InChIKeyIGQQZINLXWYBRS-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.37
Rot. Bonds2

About 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde

1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde (PubChem CID 121258466) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
PubChem CID121258466
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde
SMILESCc1noc2ccc(C3(C=O)CC3)cc12
InChIInChI=1S/C12H11NO2/c1-8-10-6-9(12(7-14)4-5-12)2-3-11(10)15-13-8/h2-3,6-7H,4-5H2,1H3
InChIKeyIGQQZINLXWYBRS-UHFFFAOYSA-N
XLogP2.37
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
3,5-dimethyl-1,2-benzoxazole
CID 4283186
lithium;1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxylic acid;methyl 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxylate;hydroxide
CID 160891165
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
2-(3-methyl-1,2-benzoxazol-5-yl)-2-oxoacetic acid
CID 117293081
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
5-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
CID 84672184
1-(3,4-dichlorophenyl)-4-hydroxy-4-methylcyclohexane-1-carbaldehyde
CID 134167029
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
bis(carbon dioxide);[(E)-1-[2-hydroxy-5-(1-methylcyclopropyl)phenyl]ethylideneamino] acetate;methane;3-methyl-5-(1-methylcyclopropyl)-1,2-benzoxazole
CID 172950469

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde (CID 121258466) is 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde is Cc1noc2ccc(C3(C=O)CC3)cc12.
What is the InChIKey of 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde?
The InChIKey is IGQQZINLXWYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-10-6-9(12(7-14)4-5-12)2-3-11(10)15-13-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde?
1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde has a molecular weight of 201.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 121258466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).